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relax (molecular dynamics analysis)

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  Analyzed about 11 hours ago

relax is a program designed for the study of molecular dynamics of organic molecules, proteins, RNA, DNA, sugars, and other biomolecules through the analysis of experimental NMR data. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE ... [More] , reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model or ensemble analysis and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, and the investigation of stereochemistry. [Less]

481K lines of code

2 current contributors

5 months since last commit

1 users on Open Hub

Very Low Activity
5.0
 
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bmrblib

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  Analyzed about 3 hours ago

Bmrblib is a Python API abstracting the Biological Magnetic Resonance Data Bank (BioMagResBank or BMRB) NMR-STAR format (http://www.bmrb.wisc.edu/). It allows the writing of NMR-STAR files for BMRB data deposition and the reading and easy extraction of data from files residing in the BMRB data bank ... [More] , all without knowledge of the Self-Defining Text Archive and Retrieval (STAR) format. [Less]

200K lines of code

0 current contributors

over 8 years since last commit

1 users on Open Hub

Inactive
0.0
 
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NMR-NESSY

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  Analyzed about 7 hours ago

NESSY is an open source software to analyse NMR relaxation dispersion data of either CPMG or R1p (R1rho) dispersion experiments. The graphical interface enables simple management of large experimental data sets and simple and automated analysis. NESSY autamatically calculates effective transverse ... [More] relaxation rate (R2eff) and performs model selection between different relaxation dispersion models. [Less]

14.5K lines of code

0 current contributors

over 6 years since last commit

0 users on Open Hub

Inactive
0.0
 
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